5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

C14H12ClF3N6 — CID 176842777

IUPAC5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCCn1nccc1-c1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1
InChIInChI=1S/C14H12ClF3N6/c1-2-24-10(3-4-21-24)13-22-11(14(16,17)18)7-23(13)8-12-19-5-9(15)6-20-12/h3-7H,2,8H2,1H3
InChIKeyQNLXZWWBANVHLQ-UHFFFAOYSA-N
MW356.74 g/mol
LogP3.28
Rot. Bonds4

About 5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 176842777) has the molecular formula C14H12ClF3N6 and a molecular weight of 356.74 g/mol. Its IUPAC name is 5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID176842777
Molecular FormulaC14H12ClF3N6
Molecular Weight356.74 g/mol
Exact Mass356.08
IUPAC Name5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCCn1nccc1-c1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1
InChIInChI=1S/C14H12ClF3N6/c1-2-24-10(3-4-21-24)13-22-11(14(16,17)18)7-23(13)8-12-19-5-9(15)6-20-12/h3-7H,2,8H2,1H3
InChIKeyQNLXZWWBANVHLQ-UHFFFAOYSA-N
XLogP3.28
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 176842777) is 5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is CCn1nccc1-c1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is QNLXZWWBANVHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N6/c1-2-24-10(3-4-21-24)13-22-11(14(16,17)18)7-23(13)8-12-19-5-9(15)6-20-12/h3-7H,2,8H2,1H3.
What are the key properties of 5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 356.74 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 176842777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).